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Home > Encyclopedia > Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, methyl ester

Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, methyl ester

Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, methyl ester structure

Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, methyl ester 

structure
  • CAS No:

    917392-54-2

  • Formula:

    C18H16N4O2

  • Chemical Name:

    Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, methyl ester

  • Synonyms:

    Benzoic acid,4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-,methyl ester;Methyl 4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]benzoate

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, methyl ester Basic Attributes

320.345

320.35

700-542-4

DTXSID40589940

Characteristics

77.00000

3.15

1.3±0.1 g/cm3

538.6±60.0 °C at 760 mmHg

279.5±32.9 °C

1.634

Safety Information

|H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:320.3
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:320.12732577
Monoisotopic Mass:320.12732577
Topological Polar Surface Area:77
Heavy Atom Count:24
Complexity:420
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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